2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(2-ethylbutyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(2-ethylbutyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(2-ethylbutyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(2-ethylbutyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(2-ethylbutyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(2-ethylbutyl)piperazino]isoindoline-1,3-quinone Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CN1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4COC5=CC=CC=C5O4

Isomeric SMILES

CCC(CC)CN1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4COC5=CC=CC=C5O4

InChI

InChI=1S/C27H33N3O4/c1-3-19(4-2)16-28-12-14-29(15-13-28)22-9-7-8-21-25(22)27(32)30(26(21)31)17-20-18-33-23-10-5-6-11-24(23)34-20/h5-11,19-20H,3-4,12-18H2,1-2H3